2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)acetic acid

C10H16O3S — CID 79899685

IUPAC2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)acetic acid
SMILESO=C(O)CC1CCOC2(CCSC2)C1
InChIInChI=1S/C10H16O3S/c11-9(12)5-8-1-3-13-10(6-8)2-4-14-7-10/h8H,1-7H2,(H,11,12)
InChIKeyYRXCGSWLOGZKJT-UHFFFAOYSA-N
MW216.30 g/mol
LogP1.76
Rot. Bonds2

About 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)acetic acid

2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)acetic acid (PubChem CID 79899685) has the molecular formula C10H16O3S and a molecular weight of 216.30 g/mol. Its IUPAC name is 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)acetic acid.

Molecular Properties

Compound Name2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)acetic acid
PubChem CID79899685
Molecular FormulaC10H16O3S
Molecular Weight216.30 g/mol
Exact Mass216.08
IUPAC Name2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)acetic acid
SMILESO=C(O)CC1CCOC2(CCSC2)C1
InChIInChI=1S/C10H16O3S/c11-9(12)5-8-1-3-13-10(6-8)2-4-14-7-10/h8H,1-7H2,(H,11,12)
InChIKeyYRXCGSWLOGZKJT-UHFFFAOYSA-N
XLogP1.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)acetic acid?
The IUPAC name of 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)acetic acid (CID 79899685) is 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)acetic acid.
What is the SMILES notation for 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)acetic acid?
The canonical SMILES for 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)acetic acid is O=C(O)CC1CCOC2(CCSC2)C1.
What is the InChIKey of 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)acetic acid?
The InChIKey is YRXCGSWLOGZKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3S/c11-9(12)5-8-1-3-13-10(6-8)2-4-14-7-10/h8H,1-7H2,(H,11,12).
What are the key properties of 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)acetic acid?
2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)acetic acid has a molecular weight of 216.30 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)acetic acid is sourced from PubChem (CID 79899685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).